CID 294175

3-acetoxyphthalic anhydride

Structural Information

Molecular Formula
C10H6O5
SMILES
CC(=O)OC1=CC=CC2=C1C(=O)OC2=O
InChI
InChI=1S/C10H6O5/c1-5(11)14-7-4-2-3-6-8(7)10(13)15-9(6)12/h2-4H,1H3
InChIKey
ZUNFXLSISHZWLF-UHFFFAOYSA-N
Compound name
(1,3-dioxo-2-benzofuran-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

206.02153 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.028806 136.2
[M+Na]+ 229.010748 146.8
[M-H]- 205.014254 142.5
[M+NH4]+ 224.055353 157.1
[M+K]+ 244.984688 146.5
[M+H-H2O]+ 189.018790 131.7
[M+HCOO]- 251.019731 159.5
[M+CH3COO]- 265.035381 183.7
[M+Na-2H]- 226.996196 141.9
[M]+ 206.02098142 140.9
[M]- 206.02207858 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe